3-cyclopropyl-1-ethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 3-cyclopropyl-1-ethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-cyclopropyl-1-ethyl-purine-2,6-dione CAS Name: 3-cyclopropyl-1-ethyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-cyclopropyl-1-ethyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-cyclopropyl-1-ethyl-xanthine Formula: C13H16N4O3 MolecularWeight: 276.29114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)C3CC3

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)C3CC3

InChI

InChI=1S/C13H16N4O3/c1-3-16-12(19)10-11(14-7-15(10)6-8(2)18)17(13(16)20)9-4-5-9/h7,9H,3-6H2,1-2H3